SCHEMBL4834853

SCHEMBL4834853

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)c3ccc(F)cc3)c1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NLRP3 Q96P20 1/20 0.45
KCNK9 Q9NPC2 2/20 0.44
MET P08581 1/20 0.44
PTGS2 P35354 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KCNK3 O14649 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4834863 1.00 NPC1 (0.47) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4844733 0.93 KMT2A (0.44) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4844740 0.93 KMT2A (0.44) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4839736 0.93 RAB9A (0.51) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4839725 0.93 RAB9A (0.51) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4846328 0.92 TP53 (0.48) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4838059 0.92 KCNK3 (0.47) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4838069 0.92 KCNK3 (0.47) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4846336 0.92 TP53 (0.48) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL4846309 0.92 NPC1 (0.55) NPC1RAB9AKMT2AALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 NPC1 985/4885RAB9A 2220/4885KMT2A 4642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.